AC1LCXZR
ethyl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Also Known As: NCGC00018773-01|NCGC00018773-02|ethyl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate|ethyl 4-((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)-3-oxobutanoate
CAS: 290299-63-7
| Molecular Formula | C17H20N2O3S |
|---|---|
| Molecular Weight | 332.11948 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.11948 |
| Monoisotopic Mass | 332.11948 |
| Heavy Atoms | 23 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 290299-63-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C=C2CCCCCC2=N1)C#N |
| InChIKey | PKSQPRDDMYIJJG-UHFFFAOYSA-N |
Product Overview
AC1LCXZR (CAS 290299-63-7), with molecular formula C17H20N2O3S and molecular weight 332.11948 g/mol. IUPAC: ethyl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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